2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide

C23H20N2OS — CID 2385229

IUPAC2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1
InChIInChI=1S/C23H20N2OS/c1-14-11-15(2)22(16(3)12-14)25-23(26)18-13-20(21-9-6-10-27-21)24-19-8-5-4-7-17(18)19/h4-13H,1-3H3,(H,25,26)
InChIKeyPTXCFHLSOJYGNC-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.14
Rot. Bonds3

About 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide

2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide (PubChem CID 2385229) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
PubChem CID2385229
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1
InChIInChI=1S/C23H20N2OS/c1-14-11-15(2)22(16(3)12-14)25-23(26)18-13-20(21-9-6-10-27-21)24-19-8-5-4-7-17(18)19/h4-13H,1-3H3,(H,25,26)
InChIKeyPTXCFHLSOJYGNC-UHFFFAOYSA-N
XLogP6.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 16821787
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316246
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865965
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide (CID 2385229) is 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide is Cc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1.
What is the InChIKey of 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide?
The InChIKey is PTXCFHLSOJYGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-14-11-15(2)22(16(3)12-14)25-23(26)18-13-20(21-9-6-10-27-21)24-19-8-5-4-7-17(18)19/h4-13H,1-3H3,(H,25,26).
What are the key properties of 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide?
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2385229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).